[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C21H25NO3 — CID 8983325

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C21H25NO3/c1-4-16-11-8-12-17(5-2)21(16)22-19(23)14-25-20(24)13-18-10-7-6-9-15(18)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyMMTPBFNKXMVJOY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.84
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 8983325) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID8983325
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C21H25NO3/c1-4-16-11-8-12-17(5-2)21(16)22-19(23)14-25-20(24)13-18-10-7-6-9-15(18)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyMMTPBFNKXMVJOY-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508262
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 8983325) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccccc1C.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is MMTPBFNKXMVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-16-11-8-12-17(5-2)21(16)22-19(23)14-25-20(24)13-18-10-7-6-9-15(18)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 339.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 8983325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).